[(2R)-2-[4-(4-ethanoylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2R)-2-[4-(4-ethanoylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2R)-2-[4-(4-acetylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2R)-2-[4-[(4-acetylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [(2R)-2-[4-(4-acetylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxypropyl]-dimethylazanium Traditional Name: [(2R)-2-[4-(4-acetylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C(C)(C[NH+](C)C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)[C@](C)(C[NH+](C)C)O

InChI

InChI=1S/C23H28N2O4/c1-16(26)17-5-7-18(8-6-17)22(27)25-11-12-29-21-10-9-20(13-19(21)14-25)23(2,28)15-24(3)4/h5-10,13,28H,11-12,14-15H2,1-4H3/p+1/t23-/m0/s1